Chemical Properties of Tetrahydrocannabinol (CAS 56282-24-7)

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-11,15,18,22H,5-8,12-13H2,1-4H3

InChI Key

SJQJFSCMYCROHP-UHFFFAOYSA-N

Formula

C21H30O2

SMILES

CCCCCC1CC2=C(c3cc(C)ccc3C(C)(C)O2)C(O)C1

Molecular Weight¹

314.46

CAS

56282-24-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.76	kJ/mol	Joback Calculated Property
logPoct/wat	5.323		Crippen Calculated Property
McVol	268.710	ml/mol	McGowan Calculated Property
Inp	[2419.00; 2490.00]
Inp	2490.00		NIST
Inp	2471.00		NIST
Inp	2419.00		NIST
Inp	2452.00		NIST
Inp	2460.00		NIST
Inp	2475.00		NIST
Inp	2460.00		NIST
Inp	2471.00		NIST
Inp	2419.00		NIST
Inp	2490.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.47; 995.66]	J/mol×K	[862.56; 1075.58]
Cp,gas	883.47	J/mol×K	862.56	Joback Calculated Property
Cp,gas	902.60	J/mol×K	898.06	Joback Calculated Property
Cp,gas	921.36	J/mol×K	933.57	Joback Calculated Property
Cp,gas	939.89	J/mol×K	969.07	Joback Calculated Property
Cp,gas	958.34	J/mol×K	1004.58	Joback Calculated Property
Cp,gas	976.88	J/mol×K	1040.08	Joback Calculated Property
Cp,gas	995.66	J/mol×K	1075.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrocannabinol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.